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71555-28-7 | N-(1-(PYRIDIN-2-YL)ETHYLIDENEAMINO)PIPERIDINE-1-CARBOTHIOAMIDE
CAS No: 71555-28-7 Catalog No: AG005GRL MDL No:
Product Description
Catalog Number:
AG005GRL
Chemical Name:
N-(1-(PYRIDIN-2-YL)ETHYLIDENEAMINO)PIPERIDINE-1-CARBOTHIOAMIDE
CAS Number:
71555-28-7
Molecular Formula:
C13H18N4S
Molecular Weight:
262.3738
IUPAC Name:
N-(1-pyridin-2-ylethylideneamino)piperidine-1-carbothioamide
InChI:
InChI=1S/C13H18N4S/c1-11(12-7-3-4-8-14-12)15-16-13(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,18)
InChI Key:
JLQJXIRORURHRB-UHFFFAOYSA-N
SMILES:
S=C(N1CCCCC1)NN=C(c1ccccn1)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.125g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.375g/mol
Monoisotopic Mass:
262.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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